(2R)-5-羟基-1,2-二甲基-4-[(E,4S,6R,8S,9S,10S,11R,12R,13R,14S,15R,17S,18S,19R,20S,21R,23R,25S,27S,28R,29S,30S,31R)-8,9,11,13,15,17,19,21 ,23,25,27,28,29,30,31-十五羟基-2,4,6,10,12,14,18,20-八甲基 -32-[(2R,3R,4S,5S,6S)-3,4,5,6-四羟基

  • 基本信息
  • 结构与计算化学

(2R)-5-羟基-1,2-二甲基-4-[(E,4S,6R,8S,9S,10S,11R,12R,13R,14S,15R,17S,18S,19R,20S,21R,23R,25S,27S,28R,29S,30S,31R)-8,9,11,13,15,17,19,21 ,23,25,27,28,29,30,31-十五羟基-2,4,6,10,12,14,18,20-八甲基 -32-[(2R,3R,4S,5S,6S)-3,4,5,6-四羟基 基本信息

中文名称:
(2R)-5-羟基-1,2-二甲基-4-[(E,4S,6R,8S,9S,10S,11R,12R,13R,14S,15R,17S,18S,19R,20S,21R,23R,25S,27S,28R,29S,30S,31R)-8,9,11,13,15,17,19,21 ,23,25,27,28,29,30,31-十五羟基-2,4,6,10,12,14,18,20-八甲基 -32-[(2R,3R,4S,5S,6S)-3,4,5,6-四羟基 
中文别名:
(2R)-5-羟基-1,2-二甲基-4-[(E,4S,6R,8S,9S,10S,11R,12R,13R,14S,15R,17S,18S,19R,20S,21R,23R,25S,27S,28R,29S,30S,31R)-8,9,11,13,15,17,19,21 ,23,25,27,28,29,30,31-十五羟基-2,4,6,10,12,14,18,20-八甲基 -32-[(2R,3R,4S,5S,6S)-3,4,5,6-四羟基 
英文名称:
2,4-Pyrrolidinedione,3-[(2E,4S,6R,8R,9R,10S,11R,12R,13R,14S,15R,17S,18S,19R,20S,21R,23R,25S,27S,28S,29R,30R,31S)-1,8,9,11,13,15,17,19,21,23,25,27,28,29,30,31-hexadecahydroxy-2,4,6,10,12,14,18,20-octamethyl-32-[(2R,3S,4S,5S,6S)-tetrahydro-3,4,5,6-tetrahydroxy-6-[(2R)-2-hydroxyundecyl]-2H-pyran-2-yl]-2-dotriaconten-1-ylidene]-1,5-dimethyl-,(3Z,5R)-
英文别名:
(2R)-5-hydroxy-1,2-dimethyl-4-[(E,4S,6R,8S,9S,10S,11R,12R,13R,14S,15R, 17S,18S,19R,20S,21R,23R,25S,27S,28R,29S,30S,31R)-8,9,11,13,15,17,19,21 ,23,25,27,28,29,30,31-pentadecahydroxy-2,4,6,10,12,14,18,20-octamethyl -32-[(2R,3R,4S,5S,6S)-3,4,5,6-tetrahydroxy-6-[(2R)-2-hydroxyundecyl]ox an-2-yl]dotriacont-2-enoyl]-2H-pyrrol-3-one 
CAS No.:
179729-59-0
分 子 式:
C62H115NO24
分 子 量:
0
分子结构式:
SDS:
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(2R)-5-羟基-1,2-二甲基-4-[(E,4S,6R,8S,9S,10S,11R,12R,13R,14S,15R,17S,18S,19R,20S,21R,23R,25S,27S,28R,29S,30S,31R)-8,9,11,13,15,17,19,21 ,23,25,27,28,29,30,31-十五羟基-2,4,6,10,12,14,18,20-八甲基 -32-[(2R,3R,4S,5S,6S)-3,4,5,6-四羟基 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):2.3

2.氢键供体数量:21

3.氢键受体数量:24

4.可旋转化学键数量:41

5.互变异构体数量:19

6.拓扑分子极性表面积:471

7.重原子数量:87

8.表面电荷:0

9.复杂度:2070

10.同位素原子数量:0

11.确定原子立构中心数量:29

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:2

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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